[1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate

Systemtic Name: [1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Openeye Name: [1-[(isopropylamino)methyl]-2-[4-(2-methoxyethyl)phenoxy]ethyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [1-[(isopropylamino)methyl]-2-[4-(2-methoxyethyl)phenoxy]ethyl] ester Formula: C19H30N2O7 MolecularWeight: 398.4507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)CCOC)OC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)CCOC)OC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C19H30N2O7/c1-15(2)20-13-18(28-19(22)5-4-11-27-21(23)24)14-26-17-8-6-16(7-9-17)10-12-25-3/h6-9,15,18,20H,4-5,10-14H2,1-3H3